SCHEMBL24253009

SCHEMBL24253009

N#Cc1cccc(COc2cc(N)ccc2C=O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
CCR5 P51681 1/20 0.47
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
HTR6 P50406 2/20 0.42
SLC6A4 P31645 2/20 0.42
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
SGMS2 Q8NHU3 1/20 0.41
MET P08581 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31499182 1.00 MRGPRX4 (0.50) MRGPRX4PDCD1CD274CCR5FFAR1
SCHEMBL24253043 0.83 CD274 (0.43) PDCD1CD274
SCHEMBL24252986 0.81 PDCD1 (0.47) MRGPRX4PDCD1CD274CCR5FFAR1
SCHEMBL31499181 0.81 PDCD1 (0.47) MRGPRX4PDCD1CD274CCR5FFAR1
SCHEMBL3932203 0.80 MAOB (0.54) MRGPRX4PDCD1CD274MAOBMAOA
SCHEMBL24252540 0.80 MRGPRX4 (0.47) MRGPRX4PDCD1CD274CCR5FFAR1
SCHEMBL14854689 0.78 MRGPRX4 (0.76) MRGPRX4PDCD1CD274CCR5FFAR1
SCHEMBL28472232 0.77 PDCD1 (0.60) MRGPRX4PDCD1CD274CCR5FFAR1
SCHEMBL24253040 0.77 PDCD1 (0.55) MRGPRX4PDCD1CD274CCR5FFAR1
SCHEMBL22874523 0.77 MAOB (0.62) MRGPRX4FFAR1FFAR4MAOBMAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 US disclosed
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2023-09-28 US disclosed
EP-4198017-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Academy of Military Medical Sciences (CN) 2023-06-21 EP disclosed
WO-2022033303-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国人民解放军军事科学院军事医学研究院 2022-02-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230303494-A1 BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF CD274, PDCD1, PDCD1LG2 MRGPRX4 3340/4885PDCD1 2/4885CD274 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.